T28002
Thioanisole
ReagentPlus®, ≥99%
Synonym(s):
Methyl phenyl sulfide
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All Photos(2)
About This Item
Linear Formula:
C6H5SCH3
CAS Number:
Molecular Weight:
124.20
Beilstein:
1904179
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21
Recommended Products
Quality Level
product line
ReagentPlus®
Assay
≥99%
refractive index
n20/D 1.587 (lit.)
bp
188 °C (lit.)
mp
−15 °C (lit.)
density
1.057 g/mL at 20 °C (lit.)
functional group
thioether
SMILES string
CSc1ccccc1
InChI
1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI key
HNKJADCVZUBCPG-UHFFFAOYSA-N
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Related Categories
Application
Thioanisole may be used in the synthesis of methyl phenyl sulfoxide via oxidation.
Legal Information
ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
163.4 °F - closed cup
Flash Point(C)
73 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Methyl phenyl sulfoxide.
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Chemical reactions that occur in the ground electronic state are described well by invoking the Born-Oppenheimer approximation, which allows their development to be rationalized by nuclear rearrangements that smoothly traverse an adiabatic potential energy surface. The situation is different, however
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The electronic and structural features of (oxo)manganese(V) corroles and their catalyzed oxygen atom transfers to thioanisole in different spin states have been investigated by the B3LYP functional calculations. Calculations show that these corrole-based oxidants and their complexes with thioanisole generally
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